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Theoretical study of the geometry of Mn5

✍ Scribed by D. D. Shillady; P. Jena; B. K. Rao; M. R. Press


Publisher
John Wiley and Sons
Year
1988
Tongue
English
Weight
347 KB
Volume
34
Category
Article
ISSN
0020-7608

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Theoretical studies of equilibrium geome
✍ Robert Ditchfield; Kurt Seidman πŸ“‚ Article πŸ“… 1978 πŸ› Elsevier Science 🌐 English βš– 328 KB

The changes in single-determmant molecular orbital cquihbrium geometries of AH,(A = C, N, 0 or F) molecules which result from taking account of correlation between eiectrons of opposite spin are prewnted. Such correlation corrections to singlc-dctcrminani ground state wavcfunctions and cncgies are c